N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide

C24H25FN2O4 — CID 118336228

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C24H25FN2O4/c1-3-11-31-21-9-7-17(23-18(15-28)5-4-10-26-23)13-19(21)24(29)27-14-16-6-8-22(30-2)20(25)12-16/h4-10,12-13,28H,3,11,14-15H2,1-2H3,(H,27,29)
InChIKeyIZPQSRGPVKDJJZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.11
Rot. Bonds9

About N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide (PubChem CID 118336228) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide
PubChem CID118336228
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C24H25FN2O4/c1-3-11-31-21-9-7-17(23-18(15-28)5-4-10-26-23)13-19(21)24(29)27-14-16-6-8-22(30-2)20(25)12-16/h4-10,12-13,28H,3,11,14-15H2,1-2H3,(H,27,29)
InChIKeyIZPQSRGPVKDJJZ-UHFFFAOYSA-N
XLogP4.11
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Picotamide
CID 4814
2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
Picotamide monohydrate
CID 6419975
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
CP-457677
CID 10407399
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
3-Carbamyl-(3'-picolyl)-4-methoxy-1-benzamide
CID 130587
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
8-(1-Anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
CID 16757576
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide (CID 118336228) is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide is CCCOc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide?
The InChIKey is IZPQSRGPVKDJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-3-11-31-21-9-7-17(23-18(15-28)5-4-10-26-23)13-19(21)24(29)27-14-16-6-8-22(30-2)20(25)12-16/h4-10,12-13,28H,3,11,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide has a molecular weight of 424.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propoxybenzamide is sourced from PubChem (CID 118336228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).